在in silico毒理学方法中对不确定性来源进行分类的框架:对化学毒性预测的考虑
Jerry Achar1, James W Firman2, Mark T D Cronin2
1Institute for Resources Environment, and Sustainability, The University of British Columbia, 2202 Main Mall, BC, V6T 1Z4, Vancouver, Canada.
Regulatory toxicology and pharmacology : RTP
|November 15, 2024
概括
这项研究开发了一个新的框架来分类化学风险评估的in silico毒理学方法中的不确定性. 它提高了模型预测的理解和透明度,提高了监管接受度.
科学领域:
- 毒理学 毒理学 毒理学
- 计算化学的计算化学
- 风险评估 风险评估
背景情况:
- 在毒理学方法的监管接受取决于理解相关的不确定性.
- 现有的研究不一致地识别和分类这些方法中的不确定性来源.
研究的目的:
- 在in silico毒理学方法中系统分析和分类不确定性来源.
- 开发一个新的框架来巩固和分类这些不确定性.
- 提高化学风险评估中不确定性管理的透明度和批判性反思.
主要方法:
- 对现有研究的分析,这些研究描述了in silico毒理学的不确定性来源.
- 基于现有结构的新不确定性分类框架的开发.
- 使用定量结构-活动关系 (QSAR) 预测的案例研究应用.
主要成果:
- 在不同研究中确定了不确定性来源的范围和术语的变化.
- 在描述的不确定性来源中显示了显著的重叠.
- 开发了一个系统的框架,巩固和分类不同的不确定性来源.
- 通过一个QSAR案例研究来说明框架的实用性.
结论:
- 新框架提供了一种结构化和透明的方法,以了解in silico毒理学的不确定性.
- 它有助于对模型预测中的不确定性来源进行批判性评估.
- 这种结构化的方法可以提高监管机构对计算毒理学方法的信心和接受.
更多相关视频
09:01A High-throughput Assay for the Prediction of Chemical Toxicity by Automated Phenotypic Profiling of Caenorhabditis elegans
Published on: March 14, 2019
7.2K
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
2.6K
相关概念视频
01:25Mutagenicity and Carcinogenicity
1.2K
Mutagenicity and carcinogenicity refer to the ability of drugs to cause genetic defects and induce cancer, respectively. The International Agency for Research on Cancer (IARC) classifies agents into four groups based on their carcinogenic potential. Group 1 agents are known human carcinogens; group 2A agents are probably carcinogenic to humans; group 3 agents lack data to support their role in carcinogenesis; and group 4 includes agents for which data support that they are not likely to be...
1.2K
01:36Types of Toxins
1.6K
Humans continually engage with an environment rich in potentially harmful chemicals. These are introduced to our bodies through inhalation, ingestion, or skin contact. These chemicals exist in various forms, such as air and environmental pollutants, agricultural chemicals, organic solvents, and heavy metals.
Air pollutants, primarily gases, pose significant threats to respiratory health, leading to conditions like hypoxia, lung cancer, and in extreme cases, death.
Environmental pollutants like...
Air pollutants, primarily gases, pose significant threats to respiratory health, leading to conditions like hypoxia, lung cancer, and in extreme cases, death.
Environmental pollutants like...
1.6K